1-[2-[[6-(1-benzofuran-2-yl)-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[2-[[6-(1-benzofuran-2-yl)-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[2-[[5-(benzofuran-2-yl)-1-carboxy-5-oxo-pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: 1-[2-[[6-(2-benzofuranyl)-1-hydroxy-1,6-dioxohexan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[2-[[6-(1-benzofuran-2-yl)-1-hydroxy-1,6-dioxohexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: 1-[2-[[5-(benzofuran-2-yl)-1-carboxy-5-keto-pentyl]amino]propanoyl]proline; 2,2,2-trifluoroacetic acid Formula: C24H27F3N2O9 MolecularWeight: 544.47439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)NC(CCCC(=O)C2=CC3=CC=CC=C3O2)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)NC(CCCC(=O)C2=CC3=CC=CC=C3O2)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H26N2O7.C2HF3O2/c1-13(20(26)24-11-5-8-16(24)22(29)30)23-15(21(27)28)7-4-9-17(25)19-12-14-6-2-3-10-18(14)31-19;3-2(4,5)1(6)7/h2-3,6,10,12-13,15-16,23H,4-5,7-9,11H2,1H3,(H,27,28)(H,29,30);(H,6,7)